| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:12 UTC |
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| Update Date | 2025-03-21 18:39:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127523 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C13H18N2O2 |
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| Molecular Mass | 234.1368 |
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| SMILES | Nc1ccc(C(=O)OCCN2CCCC2)cc1 |
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| InChI Key | UJYFPSRMBDSTIY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminestrialkylamines |
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| Substituents | aromatic heteromonocyclic compoundamino acid or derivativesbenzoylbenzoate estercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundazacyclen-alkylpyrrolidinetertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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